1-diethoxyphosphoryl-2-methylbutan-2-amine

C9H22NO3P — CID 11680187

IUPAC1-diethoxyphosphoryl-2-methylbutan-2-amine
SMILESCCOP(=O)(CC(C)(N)CC)OCC
InChIInChI=1S/C9H22NO3P/c1-5-9(4,10)8-14(11,12-6-2)13-7-3/h5-8,10H2,1-4H3
InChIKeyVWYOUZVXGXQOHG-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.38
Rot. Bonds7

About 1-diethoxyphosphoryl-2-methylbutan-2-amine

1-diethoxyphosphoryl-2-methylbutan-2-amine (PubChem CID 11680187) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-methylbutan-2-amine
PubChem CID11680187
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC Name1-diethoxyphosphoryl-2-methylbutan-2-amine
SMILESCCOP(=O)(CC(C)(N)CC)OCC
InChIInChI=1S/C9H22NO3P/c1-5-9(4,10)8-14(11,12-6-2)13-7-3/h5-8,10H2,1-4H3
InChIKeyVWYOUZVXGXQOHG-UHFFFAOYSA-N
XLogP2.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-methylbutan-2-amine?
The IUPAC name of 1-diethoxyphosphoryl-2-methylbutan-2-amine (CID 11680187) is 1-diethoxyphosphoryl-2-methylbutan-2-amine.
What is the SMILES notation for 1-diethoxyphosphoryl-2-methylbutan-2-amine?
The canonical SMILES for 1-diethoxyphosphoryl-2-methylbutan-2-amine is CCOP(=O)(CC(C)(N)CC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-2-methylbutan-2-amine?
The InChIKey is VWYOUZVXGXQOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-5-9(4,10)8-14(11,12-6-2)13-7-3/h5-8,10H2,1-4H3.
What are the key properties of 1-diethoxyphosphoryl-2-methylbutan-2-amine?
1-diethoxyphosphoryl-2-methylbutan-2-amine has a molecular weight of 223.25 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-methylbutan-2-amine is sourced from PubChem (CID 11680187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).